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Substance Name: 2H-Thiopyran-4-ol, tetrahydro-3-((dimethylamino)methyl)-4-(4-methoxyphenyl)-, hydrochloride, trans-(+-)-
RN: 119558-31-5
InChIKey: XHSBYNDCVCGGQC-NQQJLSKUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H23-N-O2-S.Cl-H

Molecular Weight

  • 317.8786
 
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Names and Synonyms

Synonym

  • (+-)-trans-Tetrahydro-3-((dimethylamino)methyl)-4-(4-methoxyphenyl)-2H-thiopyran-4-ol HCl

Systematic Name

  • 2H-Thiopyran-4-ol, tetrahydro-3-((dimethylamino)methyl)-4-(4-methoxyphenyl)-, hydrochloride, trans-(+-)-

Registry Numbers

CAS Registry Number

  • 119558-31-5

System Generated Number

  • 0119558315

Molecular Formulas

Molecular Formula

  • C15-H23-N-O2-S.Cl-H

Molecular Formula Fragments

  • C15-H23-N-O2-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C15H23NO2S.ClH/c1-16(2)10-13-11-19-9-8-15(13,17)12-4-6-14(18-3)7-5-12;/h4-7,13,17H,8-11H2,1-3H3;1H/t13-,15+;/m0./s1

InChIKey

XHSBYNDCVCGGQC-NQQJLSKUSA-N

Smiles

CN(C)C[C@H]1CSCC[C@]1(c2ccc(cc2)OC)O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 61mg/kg (61mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 52, Pg. 1340, 1987.